4-[(2,4-Difluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one

Base Information

• Chemical Name: 4-[(2,4-Difluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
• CAS No.: 676529-99-0
• Molecular Formula: C₁₆H₉F₂NO₂
• Molecular Weight: 285.25
• DSSTox Substance ID: DTXSID90401007
• Mol file: 676529-99-0.mol

Synonyms:4-[(2,4-difluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one;676529-99-0;DTXSID90401007;AKOS030651682

Chemical Property of 4-[(2,4-Difluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 285.06013485
• Heavy Atom Count: 21
• Complexity: 469

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=CC3=C(C=C(C=C3)F)F)C(=O)O2

Technology Process of 4-[(2,4-Difluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one

There total 2 articles about 4-[(2,4-Difluorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) + 2,4-difluorobenzaldehyde (1550-35-2) → Z-4-(2,4-difluorobenzylidene)-2-phenyl-5-oxazolone (676530-00-0) + E-4-(2,4-difluorobenzylidene)-2-phenyl-5-oxazolone (676529-99-0)

Guidance literature:

In various solvent(s); at 90 ℃; for 2h;

DOI:10.1016/j.molstruc.2003.11.022

Reference yield:

Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) + 2,4-difluorobenzaldehyde (1550-35-2) → E-4-(2,4-difluorobenzylidene)-2-phenyl-5-oxazolone (676529-99-0)

Guidance literature:

With PPA; at 80 - 90 ℃; for 2.5h;

DOI:10.1007/s00044-004-0102-y

Reference yield:

E-4-(2,4-difluorobenzylidene)-2-phenyl-5-oxazolone (676529-99-0) → 2,4-difluorophenylpyruvic acid (676530-01-1)

Guidance literature:

In hydrogenchloride; acetic acid; for 3h; Heating;

DOI:10.1016/j.molstruc.2003.11.022

upstream raw materials:

Hippuric Acid

2,4-difluorobenzaldehyde

Downstream raw materials:

2,4-difluorophenylpyruvic acid

Z-4-(2,4-difluorobenzylidene)-2-phenyl-5-oxazolone